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| NPAID | NPA000003 |
|---|---|
| CLUSTER ID | 3 |
| NODE ID | 3 |
| NAME | A-503083 F |
| FORMULA | C18H22N4O13 |
| MOLECULAR WEIGHT (Da) | 502.3890 |
| EXACT MASS (Da) | 502.1183 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Streptomyces sp. SANK 62799 |
| ORIGIN ISOLATION | 10.7164/antibiotics.57.639 |
| SMILES | COC1C(C(OC1C(C(=O)N)OC2C(C(C=C(O2)C(=O)O)O)O)N3C=CC(=O)NC3=O)OC(=O)N |
| NPAID | NPA000004 |
|---|---|
| CLUSTER ID | 4 |
| NODE ID | 4 |
| NAME | Aqabamycin E2 |
| FORMULA | C16H11N3O5 |
| MOLECULAR WEIGHT (Da) | 325.2800 |
| EXACT MASS (Da) | 325.0699 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Vibrio sp. |
| ORIGIN ISOLATION | 10.1038/ja.2010.34 |
| SMILES | C1=CC=C(C=C1)C2=C(NC(=C2C3=CC(=C(C=C3)O)[N+](=O)[O-])N=O)O |
| NPAID | NPA000006 |
|---|---|
| CLUSTER ID | 6 |
| NODE ID | 6 |
| NAME | Hibarimicin E |
| FORMULA | C77H100O34 |
| MOLECULAR WEIGHT (Da) | 1569.6130 |
| EXACT MASS (Da) | 1568.6096 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Microbispora rosea subsp. hibaria |
| ORIGIN ISOLATION | 10.7164/antibiotics.55.270 |
| SMILES | CCCC1(C(C(C(C2C1(C(=O)C3=C(C2)C=C4C(=C3O)C(=C(C(=C4OC)OC)C5=C(C(=O)C6=C(C5=O)C(=C7C(=C6O)C8C9C(C(C(C(C9(C7=O)O)(O8)CCC)O[C@H]1CCC([C@H](O1)C)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O)O)OC)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1CCC([C@H](O1)C)O[C@H]1CC[C@]([C@@H](O1)C)(C(=O)C)O)O |
| NPAID | NPA000008 |
|---|---|
| CLUSTER ID | 8 |
| NODE ID | 8 |
| NAME | Dihydroxydione 13 |
| FORMULA | C23H35NO4S |
| MOLECULAR WEIGHT (Da) | 421.6030 |
| EXACT MASS (Da) | 421.2287 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Myxococcus xanthus |
| ORIGIN ISOLATION | 10.1021/np030218+ |
| SMILES | CCC(=O)[C@H](C)[C@H]([C@@H](C)C(=O)CC/C(=C\CC(/C(=C/C1=CSC(=N1)C)/C)O)/C)O |
| NPAID | NPA000016 |
|---|---|
| CLUSTER ID | 15 |
| NODE ID | 15 |
| NAME | Semiplenamide B |
| FORMULA | C25H45NO3 |
| MOLECULAR WEIGHT (Da) | 407.6390 |
| EXACT MASS (Da) | 407.3399 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Lyngbya semiplena |
| ORIGIN ISOLATION | 10.1021/np030242n |
| SMILES | CCCCCCCCCCCCC/C=C/CC/C=C(\C)/C(=O)NCCOC(=O)C |
| NPAID | NPA000017 |
|---|---|
| CLUSTER ID | 16 |
| NODE ID | 16 |
| NAME | Macrolactin P |
| FORMULA | C31H46O10 |
| MOLECULAR WEIGHT (Da) | 578.6990 |
| EXACT MASS (Da) | 578.3091 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Bacillus sp. AH159-1 |
| ORIGIN ISOLATION | 10.1021/np0701327 |
| SMILES | CC[C@@H]1CCC/C=C/C=C/[C@@H](C[C@H](C/C=C\C=C\[C@H](C/C=C/C=C\C(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
| NPAID | NPA000022 |
|---|---|
| CLUSTER ID | 21 |
| NODE ID | 20 |
| NAME | Melithiazol B |
| FORMULA | C20H24N2O4S2 |
| MOLECULAR WEIGHT (Da) | 420.5560 |
| EXACT MASS (Da) | 420.1177 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Melittangium lichenicola l26 |
| ORIGIN ISOLATION | 10.7164/antibiotics.52.721 |
| SMILES | CC(C(/C=C/C1=CSC(=N1)C2=CSC(=N2)C(=C)C)OC)/C(=C\C(=O)OC)/OC |
| NPAID | NPA000024 |
|---|---|
| CLUSTER ID | 23 |
| NODE ID | 22 |
| NAME | 3097-B1 |
| FORMULA | C15H21NO4 |
| MOLECULAR WEIGHT (Da) | 279.3360 |
| EXACT MASS (Da) | 279.1471 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Streptomyces sp. strain SA3097 |
| ORIGIN ISOLATION | 10.7164/antibiotics.46.1300 |
| SMILES | CCC(=O)O[C@@H]1[C@H](CN[C@H]1CC2=CC=C(C=C2)OC)O |
| NPAID | NPA000026 |
|---|---|
| CLUSTER ID | 25 |
| NODE ID | 24 |
| NAME | Rhodobacterioxanthin |
| FORMULA | C42H58O3 |
| MOLECULAR WEIGHT (Da) | 610.9230 |
| EXACT MASS (Da) | 610.4386 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Rhodobacter capsulatus |
| ORIGIN ISOLATION | 10.1248/cpb.45.1225 |
| SMILES | C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C=O)\C)\C)/C=C/CC(C)(C)OC |
| NPAID | NPA000029 |
|---|---|
| CLUSTER ID | 28 |
| NODE ID | 27 |
| NAME | Daryamide C |
| FORMULA | C17H22N2O4 |
| MOLECULAR WEIGHT (Da) | 318.3730 |
| EXACT MASS (Da) | 318.1580 |
| ORIGIN TYPE | Bacterium |
| ORIGIN ORGANISM | Streptomyces sp. strain CNQ-085 |
| ORIGIN ISOLATION | 10.1021/np0603828 |
| SMILES | CC(C)/C=C/C=C/C(=O)NC1=CC(C=CC1=O)(CCC(=O)N)O |
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